| CAS Number | 23467-27-8 |
| Catalog Number | AG003OD9(AGN-PC-0QZQMB) |
| Chemical Name | Bis[2-(2-benzoxazolyl)phenolato]zinc(II) |
| IUPAC Name | 2-(1,3-benzoxazol-2-yl)phenol;zinc |
| InChI | InChI=1S/2C13H9NO2.Zn/c2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h2*1-8,15H; |
| InChI Key | UOCMXZLNHQBBOS-UHFFFAOYSA-N |
| MDL Number | MFCD03844767 |
| Molecular Formula | C26H18N2O4Zn |
| Molecular Weight | 487.8121 |
| SMILES | [Zn].OC1=C(C=CC=C1)C1=NC2=CC=CC=C2O1.OC1=C(C=CC=C1)C1=NC2=CC=CC=C2O1 |
| Synonyms | 23467-27-8,
Bis[2-(2-benzoxazolyl)phenolato]zinc(II),
Zn(box)2,
MFCD03844767,
Zn(2-(o-hydroxyphenyl)benzoxazole)2,
AKOS015903037,
zinc,2-(1,3-benzoxazol-2-yl)phenolate,
bis[2-(2-hydroxyphenyl)benzoxazolate]zinc,
467B278,
I14-18608,
BIS[2- PHENOLATO]ZINC,
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| Complexity | 549 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 486.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 487.82g/mol |
| Monoisotopic Mass | 486.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number